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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Trimorpholinophosphine oxide
EC Number:
224-662-7
EC Name:
Trimorpholinophosphine oxide
Cas Number:
4441-12-7
Molecular formula:
C12H24N3O4P
IUPAC Name:
trimorpholinophosphine oxide
Test material form:
solid

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
-0.98
Temp.:
20 °C
pH:
> 0 - < 14
Details on results:
Preliminary visual estimation of the n-octanol solubility
Defined amounts of the test item were stirred with n-octanol at room temperature and visually checked for any undissolved parts. According to this preliminary test the solubility of the test item in n-octanol was above 0.020 mg/l and below 0.100 mg/l (without correction for the purity).

Calculation of the partition coefficient log POW from the preliminary test
The estimated partition coefficient was calculated with the water solubility from the preliminary test data determined in project PS20170501.05 (cS = 1693 g/l) and the data obtained in chapter 4.5.1. It was calculated to be: log POW < -1.23.
Also the program KOWWIN (part of EPI Suite) was used for calculating the log POW of the test item. The calculated value was -1.38.
As the water solubility measurement indicated hydrolytic behaviour the partition coefficient was estimated based on the ratio of the solubilities in water and octanol. The shake flask method was not applicable due to possible hydrolytic behavior in water.

Determination of the solubility in n-octanol: Flask method
The n-octanol solubility of the test item at 20 °C was determined to be 72.0 g/l.

Calculation of the partition coefficient log POW from the individual solubilities
In the project 20180018.05 the water solubility of the test item at 20 °C was determined to be >682 g/l. Within this project the n-octanol solubility of the test item at 20 °C was determined to be 72.0 g/l.
The partition coefficient POW of the test item was determined to be: log POW <-0.98
This fitted well to the value calculated with KOWWIN (-1.38).

Applicant's summary and conclusion

Conclusions:
The partition coefficient (n-octanol/water) of the test item was estimated based on the ratio of the individual solubilities of the test item in water and n-octanol. The solubilities were determined according to the flask method. The shake flask method was not applicable due to the possible hydrolysis of the test item in water.
It was found to be: log POW <-0.98